2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid hydrate

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid hydrate Openeye Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetic acid hydrate CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetic acid hydrate IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetic acid hydrate Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetic acid hydrate Formula: C9H10N2O3S2 MolecularWeight: 258.3173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)SC(=N2)SCC(=O)O.O

Isomeric SMILES

C1=CC2=C(C=C1N)SC(=N2)SCC(=O)O.O

InChI

InChI=1S/C9H8N2O2S2.H2O/c10-5-1-2-6-7(3-5)15-9(11-6)14-4-8(12)13;/h1-3H,4,10H2,(H,12,13);1H2